SCHEMBL5741071

SCHEMBL5741071

CC(C)(C)OC(=O)N1CCCC1c1nc(-c2ccccn2)nc(N)c1C#N

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.40
POLB P06746 2/20 0.39
GCK P35557 2/20 0.39
PIK3CG P48736 1/20 0.38
ADORA2A P29274 2/20 0.38
ADORA1 P30542 2/20 0.38
GRM5 P41594 1/20 0.38
GPR119 Q8TDV5 2/20 0.38
TSHR P16473 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.38
UCHL1 P09936 2/20 0.38
HCRTR1 O43613 2/20 0.37
HCRTR2 O43614 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5741008 0.86 USP30 (0.44) USP30GRM5GPR119MEN1ALDH1A1
SCHEMBL5743459 0.83 GRM5 (0.39) USP30POLBGCKADORA2AADORA1
SCHEMBL22039535 0.74 HSD11B1 (0.54) POLBGPR119TSHRMEN1ALDH1A1
SCHEMBL29785710 0.74 HSD11B1 (0.54) POLBGPR119TSHRMEN1ALDH1A1
SCHEMBL5741045 0.74 ALOX5AP (0.42) GPR119MEN1ALDH1A1KMT2A
SCHEMBL29747542 0.73 GPR119 (0.46) USP30POLBGCKGPR119TSHR
SCHEMBL3859454 0.72 SCD5 (0.48) USP30POLBGRM5GPR119TSHR
SCHEMBL3852498 0.72 SCD5 (0.48) USP30POLBGRM5GPR119TSHR
SCHEMBL29491244 0.71 PRMT5 (0.55) USP30POLBGRM5GPR119TSHR
SCHEMBL28814072 0.71 PRMT5 (0.55) USP30POLBGRM5GPR119TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678146-A1 PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2006-07-12 EP disclosed
WO-2005040133-A1 PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2005-05-06 WO disclosed